2-methyl-1-prop-2-ynyl-quinolin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-methyl-1-prop-2-ynyl-quinolin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 2-methyl-1-prop-2-ynyl-quinolin-1-ium; trifluoromethanesulfonate CAS Name: 2-methyl-1-prop-2-ynylquinolin-1-ium; trifluoromethanesulfonate IUPAC Name: 2-methyl-1-prop-2-ynylquinolin-1-ium; trifluoromethanesulfonate Traditional Name: 2-methyl-1-propargyl-quinolin-1-ium triflate Formula: C14H12F3NO3S MolecularWeight: 331.31019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2C=C1)CC#C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2C=C1)CC#C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C13H12N.CHF3O3S/c1-3-10-14-11(2)8-9-12-6-4-5-7-13(12)14;2-1(3,4)8(5,6)7/h1,4-9H,10H2,2H3;(H,5,6,7)/q+1;/p-1